(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide

C21H27NO3 — CID 99133064

IUPAC(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1
InChIInChI=1S/C21H27NO3/c1-4-16-10-12-18(13-11-16)25-20(5-2)21(23)22-15-17-8-7-9-19(14-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyAEERLKWTCIZWOT-HXUWFJFHSA-N
MW341.45 g/mol
LogP4.12
Rot. Bonds9

About (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide

(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide (PubChem CID 99133064) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
PubChem CID99133064
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1
InChIInChI=1S/C21H27NO3/c1-4-16-10-12-18(13-11-16)25-20(5-2)21(23)22-15-17-8-7-9-19(14-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)/t20-/m1/s1
InChIKeyAEERLKWTCIZWOT-HXUWFJFHSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 53288985
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
2-(4-ethylphenoxy)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133189295
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The IUPAC name of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide (CID 99133064) is (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide.
What is the SMILES notation for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The canonical SMILES for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide is CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(CC)cc2)c1.
What is the InChIKey of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The InChIKey is AEERLKWTCIZWOT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-16-10-12-18(13-11-16)25-20(5-2)21(23)22-15-17-8-7-9-19(14-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)/t20-/m1/s1.
What are the key properties of (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 99133064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).